[2-bromanyl-6-ethoxy-4-[(Z)-(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-6-ethoxy-4-[(Z)-(5-oxidanylidene-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-6-ethoxy-4-[(Z)-(5-oxo-2-phenyl-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(Z)-(5-oxo-2-phenyl-4-oxazolylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(Z)-(5-keto-2-phenyl-2-oxazolin-4-ylidene)methyl]phenyl] ester Formula: C25H20BrNO6S MolecularWeight: 542.3984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3)Br)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H20BrNO6S/c1-3-31-22-15-17(14-21-25(28)32-24(27-21)18-7-5-4-6-8-18)13-20(26)23(22)33-34(29,30)19-11-9-16(2)10-12-19/h4-15H,3H2,1-2H3/b21-14-